Geometry & MOs

Info

ID:	343976
PubChem CID:	127267152
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	333.075882
ΔH_f, kcal/mol:	-41.03
Dipole, Da:	1.5
IP(EA), eV:	-9.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1(CC1)C2=NN=C(O2)C(=O)NC3CCOC(C3)C4=CC=CC=C4

DOS

IR

Vibrations